Compound Identification
SMILES
CN1C2=C(N(CCSCC3=NS(O)(=O)=C4C=C(C(=CC4=N3)C(F)(F)F)S(N)(=O)=O)C=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=JQMZNUGMQINDCT-UHFFFAOYSA-N
Formula
C18H18F3N7O6S3
Mass
581.56
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Imidazopyrimidines
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Subclass
Purines and purine derivatives
- Level 5 Xanthines
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Subclass
Purines and purine derivatives
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Class
Imidazopyrimidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Imidazopyrimidines
Subclass
Purines and purine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Xanthines
Alternative Parents
6-oxopurines Benzothiadiazines Alkaloids and derivatives Pyrimidones Benzenoids N-substituted imidazoles Organosulfonamides Heteroaromatic compounds Vinylogous amides Aminosulfonyl compounds Ureas Lactams Dialkylthioethers Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Benzothiadiazine - Purinone - Alkaloid or derivatives - Pyrimidone - Organosulfonic acid amide - Pyrimidine - N-substituted imidazole - Benzenoid - Vinylogous amide - Heteroaromatic compound - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Imidazole - Sulfonyl - Azole - Urea - Lactam - Azacycle - Dialkylthioether - Sulfenyl compound - Thioether - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Alkyl fluoride - Alkyl halide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.
External Descriptors
Not available